Search results for: Bragg diffraction

Authors: Yogendar Singh, Parasmani Rajput, Pawan Kumar Kulriya

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Understanding the radiation response of the pyrochlore structured ceramics in the nuclear reactor core-like environment is of quite an interest for their utilization as host matrices. Electronic excitation (100 MeV I7+) induced crystalline to amorphous phase transition in Nd2Zr2O7 pyrochlore synthesized through three steps solid-state sintering method was investigated. The x-ray diffraction, along with Raman spectroscopy and x-ray absorption spectroscopy experiments conducted on pristine and irradiated pyrochlore, showed an increase in the rate of amorphization with ion fluence. XRD results indicate that specimen is completely amorphized on irradiation at the highest fluence of 5×1013 ions/cm2. The EXAFS spectra of the K-Zr edge and the Nd LIII edge confirmed a significant change in the chemical environment of Nd upon swift heavy ion irradiation. Observation of a large change in the intensity of K-Zr pre-edge spectra is also a good indicator of the phase transition from pyrochlore to the amorphous phase, which is supported by the FT modulus of the LIII-Nd edge. However, the chemical environment of Zr is less affected by irradiation, but it clearly exhibits an increase in the degree of disorder.

Keywords: nuclear host matrices, swift heavy ion irradiation, x-ray absorption spectroscopy, pyrochlore oxides

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Authors: Geetanjali Singh, R. J. Choudhary, Anjana Dogra

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Here we report the effects of anti-site disorder, present in the sample, on the magnetic properties of Sm₂NiMnO₆ (SNMO) thin films. To our best knowledge, there are no studies available on the thin films of SNMO. Thin films were grown using pulsed laser deposition technique on SrTiO₃ (STO) substrate under oxygen pressure of 800 mTorr. X-ray diffraction (XRD) profiles show that the film grown is epitaxial. Field cooled (FC) and zero field cooled (ZFC) magnetization curve increase as we decrease the temperature till ~135K. A broad dip was observed in both the curves below this temperature which is more dominating in ZFC curve. An additional sharp cusplike shape was observed at low temperature (~20 K) which is due to the re-entrant spin-glass like properties present in the sample. Super-exchange interaction between Ni²⁺-O-Mn⁴⁺ is attributed to the FM ordering in these samples. The spin-glass feature is due to anti-site disorder within the homogeneous sample which was stated to be due to the mixed valence states Ni³⁺ and Mn³⁺ present in the sample. Anti-site disorder was found to play very crucial role in different magnetic phases of the sample.

Keywords: double perovskite, pulsed laser deposition, spin-glass, magnetization

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Authors: Mandlenkosi G. R. Mahlobo, Peter A. Olubambi

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Cathodic protection (CP) has been widely considered as a suitable technique for mitigating corrosion of steel structures buried in soil. Plenty of efforts have been made in developing techniques, in particular non-destructive techniques, for monitoring and quantifying the effectiveness of CP to ensure the sustainability and performance of buried steel structures. This study was aimed at using a specifically modified voltammetry approach as a non-destructive tool to monitor and quantify the effectiveness of CP of steel in simulated soil. Carbon steel was subjected to electrochemical tests with NS4 solution used as simulated soil conditions for four days before applying CP for further 11 days. A specifically modified voltammetry technique was applied at various time intervals of the experiment to monitor the corrosion behaviour and therefore reflect CP effectiveness. The voltammetry results revealed that the application of CP reduced the corrosion rate from the highest value of 410 µm/yr to 8 µm/yr between days 5 and 14 of the experiments. The microstructural analysis of the steel surface performed using x-ray diffraction identified calcareous deposit as the dominant phase protecting the surface from corrosion. It was deduced that the formation of calcareous deposits was linked with the effectiveness of CP of steel.

Keywords: carbon steel, cathodic protection, NS4 solution, voltammetry, XRD

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Authors: Abhijit Pattnayak, Abhijith N.V, Deepak Kumar, Jayant Jain, Vijay Chaudhry

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Hard and dense ceramic coatings deposited on the surface provide the ideal solution to the poor tribological properties exhibited by some popular stainless steels like EN-36, 17-4PH, etc. These steels are widely used in nuclear, fertilizer, food processing, and marine industries under extreme environmental conditions. The present study focuses on the development of Al₂O₃-CeO₂-rGO-based coatings on the surface of 17-4PH steel using High-Velocity Oxygen Flame (HVOF) thermal spray process. The coating is developed using an oxyacetylene flame. Further, we report the physical (Density, Surface roughness, Surface energetics), Metallurgical (Scanning electron microscopy, X-ray diffraction, Raman), Mechanical (Hardness(Vickers and Nano Hard-ness)), Tribological (Wear, Scratch hardness) and Chemical (corrosion) characterization of both As-sprayed coating and the Substrate (17-4 PH steel). The comparison of the properties will help us to understand the microstructure-property relationship of the coating and reveal the necessity and challenges of such coatings.

Keywords: thermal spray process, HVOF, ceramic coating, hardness, wear, corrosion

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Authors: Silviya Todorova, Anton Naydenov, Ralitsa Velinova, Alexander Larin

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Catalytic combustion of methane has been extensively investigated for emission control and power generation during the last decades. The alumina-supported palladium catalyst is widely accepted as the most active catalysts for catalytic combustion of methane. The activity of Pd/Al₂O₃ decreases during the time on stream, especially underwater vapor. The following order of activity in the reaction of complete oxidation of methane was established: Co₃O₄> CuO>NiO> Mn₂O₃> Cr₂O₃. It may be expected that the combination between Pd and these oxides could lead to the promising catalysts in the reaction of complete methane. In the present work, we investigate the activity of Pd/Al₂O₃ catalysts promoted with other metal oxides (MOx; M= Ni, Co, Ce). The Pd-based catalysts modified by metal oxide were prepared by sequential impregnation of Al₂O₃ with aqueous solutions of Me(NO₃)₂.6H₂O and Pd(NO₃)₂H₂O. All samples were characterized by X-ray diffraction (XRD), temperature-programmed reduction (TPR), and X-ray photoelectron spectroscopy (XPS). An improvement of activity was observed after modification with different oxides. The results demonstrate that the Pd/Al₂O₃ catalysts modified with Co and Ce by impregnation with a common solution of respective salts, exhibit the most promising catalytic activity for methane oxidation. Most probably, the presence of Co₃O₄ and CeO₂ on catalytic surface increases surface oxygen and therefore leads to the better reactivity in methane combustion.

Keywords: methane combustion, palladium, Co-Ce, Ni-Ce

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Authors: H. Merzouka, D. T. Talantikitea, S. Fettouchib, L. Nessarkb

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Recently New nanosized materials studies are in huge expansion worldwide. They play a fundamental role in various industrial applications thanks their unique and functional properties. Moreover, in recent years, a great effort has been made in design and control fabrication of nano-structured semiconductors such as zinc sulphide. In recent years, much attention has been accorded in doped and co-doped ZnS to improve the ZnS films quality. We present in this work preparation and characterization of ZnS and Cu doped ZnS thin films. Nanoparticles ZnS and Cu doped ZnS films are prepared by chemical bath deposition method (CBD), for various dopant concentrations. Thin films are deposed onto commercial microscope glass slides substrates. Thiourea is used as sulfide ion source, zinc acetate as zinc ion source and copper acetate as Cu ion source in alkaline bath at 90 °C. X-ray diffraction (XRD) analyses are carried out at room temperature on films and powders with a powder diffractometer, using CuK radiation. The average grain size obtained from the Debye–Scherrer’s formula is around 10 nm. Films morphology is examined by scanning electron microscopy. IR spectra of representative sample are recorded with the FTIR between 400 and 4000 cm-1. The transmittance is more than 70 % is performed with the UV–VIS spectrometer in the wavelength range 200–800 nm. This value is enhanced by Cu doping.

Keywords: Cu doped ZnS, nanostructured, thin films, CBD, XRD, FTIR

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Authors: Hernandez Pardo Diego F., Guiza Arguello Viviana R., Coy Echeverria Ana, Viejo Abrante Fernando

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The biological hydroxyapatite obtained from bovine bone arouses great interest in its application as a material for bone regeneration due to its better bioactive behavior in comparison with synthetic hydroxyapatite. For this reason, the objective of the present investigation was to determine the effect of chemical and thermal treatments in obtaining biological bovine hydroxyapatite of high purity and crystallinity. Two different chemical reagents were evaluated (NaOH and HCl) with the aim to remove the organic matrix of the bovine cortical bone. On the other hand, for analyzing the effect of thermal treatment temperature was ranged between 500 and 1000°C for a holding time of 4 hours. To accomplish the above, the materials before and after the chemical and thermal treatments were characterized by elemental compositional analysis (CHN), infrared spectroscopy by Fourier transform (FTIR), RAMAN spectroscopy, scanning electron microscopy (SEM), thermogravimetric analysis (TGA) and X-ray diffraction (XRD) and energy dispersion X-ray spectroscopy (EDS). The results allowed to establish that NaOH is more effective in the removal of the organic matrix of the bone when compared to HCl, whereas a thermal treatment at 700ºC for 4 hours was enough to obtain biological hydroxyapatite of high purity and crystallinity.

Keywords: bovine bone, hydroxyapatite, biomaterials, thermal treatment

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Authors: S. U. Khan, T. Ayub, N. Shafiq

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The properties of locally produced metakaolin (MK) as cement replacing material and the comparison of reactivity with commercially available micro-silica have been investigated. Compressive strength, splitting tensile strength, and load-deflection behaviour under bending are the properties that have been studied. The amorphous phase of MK with micro-silica was compared through X-ray diffraction (XRD) pattern. Further, interfacial transition zone of concrete with micro-silica and MK was observed through Field Emission Scanning Electron Microscopy (FESEM). Three mixes of concrete were prepared. One of the mix is without cement replacement as control mix, and the remaining two mixes are 10% cement replacement with micro-silica and MK. It has been found that MK, due to its irregular structure and amorphous phase, has high reactivity with portlandite in concrete. The compressive strength at early age is higher with MK as compared to micro-silica. MK concrete showed higher splitting tensile strength and higher load carrying capacity as compared to control and micro-silica concrete at all ages respectively.

Keywords: metakaolin, compressive strength, splitting tensile strength, load deflection, interfacial transition zone

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Authors: Nouacer Imane, Benalia Mokhtar, Djedid Mabrouk

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The adsorption ability of a powdered activated carbons (PAC) derived from Luffa cylindrica investigated in an attempt to produce more economic and effective sorbents for the control of Cu(II) ion from industrial liquid streams. Carbonaceous sorbents derived from local luffa cylindrica, were prepared by chemical activation methods using ZnCl2 as activating reagents. Adsorption of Cu (II) from aqueous solutions was investigated. The effects of pH, initial adsorbent concentration, the effect of particle size, initial metal ion concentration and temperature were studied in batch experiments. The maximum adsorption capacity of copper onto grafted Luffa cylindrica fiber was found to be 14.23 mg/g with best fit for Langmuir adsorption isotherm. The values of thermodynamic parameters such as enthalpy change, ∆H (-0.823 kJ/mol), entropy change, ∆S (-9.35 J/molK) and free energy change, ∆G (−1.56 kJ/mol) were also calculated. Adsorption process was found spontaneous and exothermic in nature. Finally, the luffa cylindrica has been evaluated by FTIR, MO and x-ray diffraction in order to determine if the biosorption process modifies its chemical structure and morphology, respectively. Luffa cylindrica has been proven to be an efficient biomaterial useful for heavy metal separation purposes that is not altered by the process.

Keywords: adsorption, cadmium, isotherms, thermodynamic, luffa sponge

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Authors: M. Sneha, N. Meenakshi Sundaram

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In recent times, magnetic hyperthermia is used for cancer treatment as a tool for active targeting of delivering drugs to the targeted site. It has a potential advantage over other heat treatment because there is no systemic buildup in organs and large doses are possible. The aim of this study is to develop a suitable magnetic biomaterial that can destroy the cancer cells as well as induce bone regeneration. In this work, the composite material was synthesized in two-steps. First, porous iron oxide nano needles were synthesized by hydrothermal process. Second, the hydroxyapatite, were synthesized from natural calcium (i.e., egg shell) and inorganic phosphorous source using wet chemical method. The crystalline nature is confirmed by powder X-ray diffraction analysis (XRD). Thermal analysis and the surface area of the material is studied by Thermo Gravimetric Analysis (TGA), Brunauer-Emmett and Teller (BET) technique. Scanning electron microscope (SEM) images show that the particles have nanoneedle-like morphology. The magnetic property is studied by vibrating sample magnetometer (VSM) technique which confirms the superparamagnetic behavior. This paper presents a simple and easy method for synthesis of magnetite/hydroxyapatite composites materials.

Keywords: iron oxide nano needles, hydroxyapatite, superparamagnetic, hyperthermia

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Authors: Mohamed Haneef, Shanawaz Patil, Syed Zameer, Mohammed Mohsin Ali

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The emerging technologies and trends of present generation requires downsizing the unwieldy structures to light weight structures on one hand and integration of varied properties on other hand to meet the application demands. In the present investigation an attempt is made to familiarize and best possibilities of reinforcing agent in aluminum 7075 matrix with naturally occurring beryl (Be) and graphene (Gr) to develop a new hybrid composite material. A stir casting process was used to fabricate with fixed volume fraction of 6wt% weight beryl and various volume fractions of 0.5wt%, 1wt%, 1.5wt% and 2wt% of graphene. The properties such as tensile strength, hardness and dry sliding wear behavior of hybrid composites were examined. The crystallite size and morphology of the graphene and beryl particles were analyzed with X-ray diffraction (XRD) and scanning electron microscopy (SEM) respectively. It was observed that ultimate tensile strength and hardness of the hybrid composite increased with increasing reinforcement volume fraction as compared to specimen without reinforcement additions. The dry sliding wear behavior of the hybrid composites decreases as compared to Al7075 alloy without reinforcement.

Keywords: Al7075, beryl, graphene, TEM, wear

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Authors: Hany M. Abd El-Lateef

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Two novel Schiff bases, 5-bromo-2-[(E)-(pyridin-3-ylimino) methyl] phenol (HBSAP) and 5-bromo-2-[(E)-(quinolin-8-ylimino) methyl] phenol (HBSAQ) have been synthesized. They have been characterized by elemental analysis and spectroscopic techniques (UV–Vis, IR and NMR). Moreover, the molecular structure of HBSAP and HBSAQ compounds are determined by single crystal X-ray diffraction technique. The inhibition activity of HBSAP and HBSAQ for carbon steel in 3.5 %NaCl+0.1 M HCl for both short and long immersion time, at different temperatures (20-50 ºC), was investigated using electrochemistry and surface characterization. The potentiodynamic polarization shows that the inhibitors molecule is more adsorbed on the cathodic sites. Its efficiency increases with increasing inhibitor concentrations (92.8 % at the optimal concentration of 10-3 M for HBSAQ). Adsorption of the inhibitors on the carbon steel surface was found to obey Langmuir’s adsorption isotherm with physical/chemical nature of the adsorption, as it is shown also by scanning electron microscopy. Further, the electronic structural calculations using quantum chemical methods were found to be in a good agreement with the results of the experimental studies.

Keywords: carbon steel, Schiff bases, corrosion inhibition, SEM, electrochemical techniques

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Authors: Kang-Hyuk Lee, Wei Yan, Sang-Im Yoo

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Recently, Ca₁₋ₓLaₓFe₁₂O₁₉ (Ca-La M-type) hexaferrites have been reported to possess higher crystalline anisotropy compared with SrFe₁₂O₁₉ (Sr M-type) hexaferrite without reducing its saturation magnetization (Ms), resulting in higher coercivity (Hc). While iron deficiency is known to be helpful for the growth and the formation of NiZn spinel ferrites, the effect of iron deficiency in Ca-La M-type hexaferrites has never been reported yet. In this study, therefore, we tried to investigate the effect of iron deficiency on the magnetic properties of Ca₀.₅La₀.₅Fe₁₂₋yO₁₉₋δ hexaferrites prepared by solid state reaction. As-calcined powder was pressed into pellets and sintered at 1275~1325℃ for 4 h in air. Samples were characterized by powder X-ray diffraction (XRD), vibrating sample magnetometer (VSM), and scanning electron microscope (SEM). Powder XRD analyses revealed that Ca₀.₅La₀.₅Fe₁₂₋yO₁₉₋δ (0.75 ≦ y ≦ 2.15) ferrites calcined at 1250-1300℃ for 12 h in air were composed of single phase without the second phases. With increasing the iron deficiency, y, the lattice parameters a, c and unite cell volumes were decreased first up to y=10.25 and then increased again. The highest Ms value of 77.5 emu/g was obtainable from the sample of Ca₀.₅La₀.₅Fe₁₂₋yO₁₉₋δ sintered at 1300℃ for 4 h in air. Detailed microstructures and magnetic properties of Ca-La M-type hexagonal ferrites will be presented for a discussion

Keywords: Ca-La M-type hexaferrite, magnetic properties, iron deficiency, hexaferrite

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Authors: Keiji Komatsu，Tetsuo Sekiya, Ayumu Toyama, Atsushi Nakamura, Ikumi Toda, Shigeo Ohshio, Hiroyuki Muramatsu, Hidetoshi Saitoh

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Yttrium oxide (Y2O3) films have been successfully deposited with yttrium-ethylenediaminetetraacetic acid (EDTA･Y･H) complexes prepared by various milling techniques. The effects of the properties of the EDTA･Y･H complex on the properties of the deposited Y2O3 films have been analyzed. Seven different types of the raw EDTA･Y･H complexes were prepared by various commercial milling techniques such as ball milling, hammer milling, commercial milling, and mortar milling. The milled EDTA･Y･H complexes exhibited various particle sizes and distributions, depending on the milling method. Furthermore, we analyzed the crystal structure, morphology and elemental distribution profile of the metal oxide films deposited on stainless steel substrate with the milled EDTA･Y･H complexes. Depending on the milling technique, the flow properties of the raw powders differed. The X-ray diffraction pattern of all the samples revealed the formation of Y2O3 crystalline phase, irrespective of the milling technique. Of all the different milling techniques, the hammer milling technique is considered suitable for fabricating dense Y2O3 films.

Keywords: powder sizes and distributions, flame spray coating techniques, Yttrium oxide

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Authors: B. Dikici, I. Ozdemir, M. Topuz

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The corrosion behaviour of 316L stainless steel coatings obtained by cold spray method was investigated in this study. 316L powders were deposited onto Al5052 aluminum substrates. The coatings were produced using nitrogen (N₂) process gas. In order to further improve the corrosion and mechanical properties of the coatings, heat treatment was applied at 250 and 750 °C. The corrosion performances of the coatings were compared using the potentiodynamic scanning (PDS) technique under in-vitro conditions (in Ringer’s solution at 37 °C). In addition, the hardness and porosity tests were carried out on the coatings. Microstructural characterization of the coatings was carried out by using scanning electron microscopy attached with energy dispersive spectrometer (SEM-EDS) and X-ray diffraction (XRD) technique. It was found that clean surfaces and a good adhesion were achieved for particle/substrate bonding. The heat treatment process provided both elimination of the anisotropy in the coating and resulting in healing-up of the incomplete interfaces between the deposited particles. It was found that the corrosion potential of the annealed coatings at 750 °C was higher than that of commercially 316 L stainless steel. Moreover, the microstructural investigations after the corrosion tests revealed that corrosion preferentially starts at inter-splat boundaries.

Keywords: biomaterials, cold spray, 316L, corrosion, heat treatment

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Authors: Sidi Mohamed Mesli, Mohamed Habchi, Mohamed Kotbi, Rafik Benallal, Abdelali Derouiche

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Fluoride glasses with a nominal composition of BaMnMF7 (M = FeV assuming isomorphous replacement) have been structurally modelled through the simultaneous simulation of their neutron diffraction patterns by a reverse Monte Carlo (RMC) model and by a Rietveld for disordered materials (RDM) method. Model is consistent with an expected network of interconnected [MF6] polyhedra. The RMC results are accompanied by artificial satellite peaks. To remedy this problem, we use an extension of the RMC algorithm, which introduces an energy penalty term in acceptance criteria. This method is called the Hybrid Reverse Monte Carlo (HRMC) method. The idea of this paper is to apply the (HRMC) method to the title glasses, in order to make a study of the phenomenon nature of order and disorder by displaying and discussing the partial pair distribution functions (PDFs) g(r). We suggest that this method can be used to describe average correlations between components of fluoride glass or similar system.

Keywords: fluoride glasses, RMC simulation, neutron scattering, hybrid RMC simulation, Lennard-Jones potential, partial pair distribution functions

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Authors: Hiroyuki Aoki

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The physical properties of polymer materials are dependent on the conformation and molecular motion of a polymer chain. Therefore, the structure and dynamic behavior of the single polymer chain have been the most important concerns in the field of polymer physics. However, it has been impossible to directly observe the conformation of the single polymer chain in a bulk medium. In the current work, the novel techniques to study the conformation and dynamics of a single polymer chain are proposed. Since a fluorescence method is extremely sensitive, the fluorescence microscopy enables the direct detection of a single molecule. However, the structure of the polymer chain as large as 100 nm cannot be resolved by conventional fluorescence methods because of the diffraction limit of light. In order to observe the single chains, we developed the labeling method of polymer materials with a photo-switchable dye and the super-resolution microscopy. The real-space conformational analysis of single polymer chains with the spatial resolution of 15-20 nm was achieved. The super-resolution microscopy enables us to obtain the three-dimensional coordinates; therefore, we succeeded the conformational analysis in three dimensions. The direct observation by the nanometric optical microscopy would reveal the detailed information on the molecular processes in the various polymer systems.

Keywords: polymer materials, single molecule, super-resolution techniques, conformation

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Authors: Mohit Kalra, Varun S., Mayuri Gandhi

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CeF3 nanophosphors has been extensively investigated in the recent years for lighting and numerous bio-applications. Down conversion emissions in CeF3:Eu3+/Tb3+ phosphors were studied with the aim of obtaining a white light emitting composition, by a simple co-precipitation method. The material was characterized by X-ray Diffraction (XRD), High Resolution Transmission Electron Microscopy (HR-TEM), Fourier Transform Infrared Spectroscopy (FT-IR) and Photoluminescence (PL). Uniformly distributed nanoparticles were obtained with an average particle size 8-10 nm. Different doping concentrations were performed and fluorescence study was carried out to optimize the dopants concentration for maximum luminescence intensity. The steady state and time resolved luminescence studies confirmed efficient energy transfer from the host to activator ions. Different concentrations of Tb 3+, Eu 3+ were doped to achieve a white light emitting phosphor for UV-based Light Emitting Diodes (LEDs). The nanoparticles showed characteristic emission of respective dopants (Eu 3+, Tb3+) when excited at the 4f→5d transition of Ce3+. The chromaticity coordinates for these samples were calculated and the CeF3 doped with Eu 3+ and Tb3+ gave an emission very close to white light. These materials may find its applications in optoelectronics and various bio applications.

Keywords: white light down-conversion, nanophosphors, LEDs, rare earth, cerium fluoride, lanthanides

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Authors: E. M. AbdelRazek, G. S. ElBahy, M. A. Allam, A. M. Abdelghany, A. M. Hezma

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Polymeric biocomposite of hydroxyapatite/polyacrylic acid were prepared and their thermal and mechanical properties were improved by addition of cellulose acetate. FTIR spectroscopy technique and X-ray diffraction analysis were employed to examine the physical and chemical characteristics of the biocomposites. Scanning electron microscopy shows a uniform distribution of HAp nano-particles through the polymeric matrix of two organic/inorganic composites weight ratios (60/40 and 70/30), at which the material crystallinity reaches a considerable value appropriate for the needed applications were studied and revealed that the HAp nano-particles are uniformly distributed in the polymeric matrix. Kinetic parameters were determined from the weight loss data using non isothermal thermogravimetric analysis (TGA). Also, the main degradation steps were described and discussed. The mechanical properties of composites were evaluated by measuring tensile strength and elastic modulus. The data indicate that the addition of cellulose acetate can make homogeneous composites scaffold significantly resistant to higher stress. Elastic modulus of the composites was also improved by the addition of cellulose acetate, making them more appropriate for bioapplications.

Keywords: biocomposite, chemical synthesis, infrared spectroscopy, mechanical properties

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Authors: Zaia Derrar Kaddour

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The study of a beam throughout an optical path is generally achieved by means of diffraction integral. Unfortunately, in some problems, this tool turns out to be not very friendly and hard to implement. Instead, the beam expansion method for computing field profiles appears to be an interesting alternative. The beam expansion method consists of expanding the field pattern as a series expansion in a set of orthogonal functions. Propagating each individual component through a circuit and adding up the derived elements leads easily to the result. The problem is then reduced to finding how the expansion coefficients change in a circuit. The beam expansion method requires a systematic study of each type of optical element that can be met in the considered optical path. In this work, we analyze the following fundamental elements: first order optical systems, hard apertures and waveguides. We show that the former element type is completely defined thanks to the Gouy phase shift expression we provide and the latters require a suitable mode conversion. For endorsing the usefulness and relevance of the beam expansion approach, we show here some of its applications such as the treatment of the thermal lens effect and the study of unstable resonators.

Keywords: gouy phase shift, modes, optical resonators, unstable resonators

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Authors: A. L. R. Rangel, J. A. M. Chaves, A. P. R. Alves Claro

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Surface modification of titanium and its alloys using TiO2 nanotube growth has been widely studied for biomedical field due to excellent interaction between implant and biological environment. The success of this treatment is directly related to anatase phase formation (TiO2 phase) which affects the cells growth. The aim of this study was to evaluate the phases formed in the nanotubes growth on the Ti-15Mo surface. Nanotubes were grown by electrochemical anodization of the alloy in ammonium fluoride based glycerol electrolyte for 24 hours at 20V. Then, the samples were annealed at 200°,400°, 450°, 500°, 600°, and 800° C for 1 hour. Contact angles measurements, scanning electron microscopy images and X rays diffraction analysis (XRD) were carried out for all samples. Raman Spectroscopy was used to evaluate TiO2 phases transformation in nanotubes samples as well. The results of XRD showed anatase formation for lower temperatures, while at 800 ° C the rutile phase was observed all over the surface. Raman spectra indicate that this phase transition occurs between 500 and 600 °C. The different phases formed have influenced the nanotubes morphologies, since higher annealing temperatures induced agglutination of the TiO2 layer, disrupting the tubular structure. On the other hand, the nanotubes drastically reduced the contact angle, regardless the annealing temperature.

Keywords: nanotubes, TiO2, titanium alloys, Ti-15Mo

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Authors: Madhurima Poddar, Vinay Sharma, Shaikh M. Mobin, Rajneesh Misra

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Three 1,8-naphthalimide (NPI) substituted 4,4-difluoroboradiaza-s-indacene (BODIPY) dyads were synthesized via Pd-catalyzed Sonogashira cross-coupling reaction of ethynyl substituted NPI with the meso-, β- and α-halogenated BODIPYs, respectively. The photophysical and electrochemical data reveals considerable electronic communication between the BODIPY and NPI moieties. The electronic absorption spectrum reveals that the substitution of NPI at α position of BODIPY exhibit better electronic communication between the NPI and the BODIPY units. The electronic structures of all the dyads exhibit planar geometries which are in a good correlation with the structures obtained from single crystal X-ray diffraction. The crystal structures of the dyads exhibit interesting supramolecular interactions. The dyads show good cytocompatibility with the potential of multicolor live-cell imaging; making them excellent candidates for biological applications. The work provides an important strategy of screening the substitution pattern at different position of BODIPYs which will be useful for the design of BODIPY based organic molecules for various optoelectronic applications as well as bio-imaging.

Keywords: bio-imaging studies, cross-coupling, cyclic voltammetry, density functional calculations, fluorescence spectra, single crystal XRD, UV/Vis spectroscopy

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Authors: P. Shrivastava, S. Vijayalakshmi, A. K. Singh, S. Dalai, R. Teotia, P. Sharma, J. Bellare

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This paper focuses on the synthesis and application of nanobioactive glass for bone regeneration studies. Nanobioactive glass has been synthesized by sol gel method having a combination of silicon, calcium and phosphorous in the molar ratio of 75:21:4. The prepared particles were analyzed for surface morphology by FEG SEM and FEG TEM. Physiochemical properties were investigated using ICP AES, FTIR spectroscopy and X-ray diffraction (XRD) techniques. To ascertain their use for therapeutic use, biocompatibility evaluation of the particles was done by performing soaking studies in SBF and in vitro cell culture studies on MG63 cell lines. Cell morphology was observed by FE SEM and phase contrast microscopy. Nanobioactive glasses (NBG) thus prepared were of 30-200 nm in size, which makes them suitable for nano-biomedical applications. The spherical shape of the particles imparts high surface to volume ratio, promoting fast growth of hydroxyapatite (HA), which is the mineral component of bone. As evaluated by in vitro cell culture studies the NBG was found to enhance the surface activation which enhances osteoblast adhesion. This is an essential parameter to improve bone tissue integration, thereby making nanobioactive glass therapeutically suitable for correcting bone defects.

Keywords: biocompatibility, bone tissue engineering, hydroxyapatite, nanobioactive glass

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Authors: Eko S. Kunarti, Akhmad Syoufian, Indriana Kartini, Agnes

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Fe₃O₄/SiO₂/TiO₂ nanoparticles have been synthesized and applied as a photocatalyst for the recovery of gold from the mixture of Au(III) and Cu(II) ions. The synthesis was started by the preparation of magnetite (Fe₃O₄) using coprecipitation and sonication methods, followed by SiO₂ coating on magnetite using sol-gel reactions, and then TiO₂ coating using sol-gel process. Characterization was performed by using infrared spectroscopy, X-ray diffraction, transmission electron microscopy methods. Activity of Fe₃O₄/SiO₂/TiO₂ nanoparticles was evaluated as a photocatalyst for recovery of gold through photoreduction of Au(III) ions in Au(III) and Cu(II) ions mixture with a ratio of 1:1, in a closed reactor equipped with UV lamp. The photoreduction yield was represented as a percentage (%) of reduced Au(III) which was calculated by substraction of initial Au(III) concentration by the unreduced one. The unreduced Au(III) was determined by atomic absorption spectrometry. Results showed that the Fe₃O₄/SiO₂/TiO₂ nanoparticles were successfully synthesised with excellent magnetic and photocatalytic properties. The nanoparticles present optimum activity at a pH of 5 under UV irradiation for 120 minutes. At the optimum condition, the Fe₃O₄/SiO₂/TiO₂ nanoparticles could reduce Au³⁺ to Au⁰ 97.24%. In the mixture of Au(III) and Cu(II) ions, the Au(III) ions are more easily reducible than Cu(II) ions with the reduction results of 96.9% and 45.80% for Au(III) and Cu(II) ions, respectively. In addition, the presence of Cu(II) ions has no significant effect on the amount of gold recovered and its reduction reaction rate.

Keywords: Fe₃O₄/SiO₂/TiO₂, photocatalyst, recovery, gold, Au(III) and Cu(II) mixture

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Authors: N. Boukabcha, Y. Megrouss, N. Benhalima, S. Yahiaoui, A. Chouaih, F. Hamzaoui

Abstract:

We present the electron density analysis of organic compound 4-methyl-N-[(5- nitrothiophen-2-ylmethylidene)] aniline with chemical formula C12H10N2O2S. Indeed, determining the electrostatic properties of nonlinear optical organic compounds requires knowledge of the distribution of the electron density with high precision. On the other hand, a structural analysis is performed. Two methods are used to obtain the structure, X-ray diffraction and theoretical calculation with density functional theory (DFT). The electron density study is performed using the Mopro program1503 based on the multipolar model of Hansen and Coppens. Electron density analysis allows determination of the value and orientation of the dipole moment. The net atomic charges, electrostatic potential and the molecular dipole moment have been determined in order to understand the nature of inter- and intramolecular charge transfer. The study reveals the nature of intermolecular interactions including charge transfer and hydrogen bonds in the title compound. Crystallographic data: monoclinic system - space group P21 / n. Celle parameters: a = 4.7606 (4) Å, b = 22.415 (2) Å, c = 10.7008 (15) Å, β = 92.566 (13) 0, V = 1140.7 (2) Å3, Z = 4, R = 0.0034 for 2693 observed reflections.

Keywords: electron density, dipole moment, electrostatic potential, DFT, Mopro

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Authors: Subrata Kar, Banani Kundu, Papiya Nandy, Ruma Basu, Sukhen Das

Abstract:

Natural montmorilollite clay is a common ingredient in pharmaceutical products, both as excipients and active support; hence considered as suitable candidate for Drug Delivery System. In this work, cationic detergent CTAB is used to increase the interlayer spacing of Na+-Montmoriollite clay to intercalate curcumin and methotrexate. Methotrexate is a folic acid antagonist, anti-proliferative and immunosuppressive agent; while curcumin is a bioactive constituent of rhizomes of Curcuma longa, possessing remarkable chemo-preventive and anti-inflammatory properties. The resultant inorganic-organic hybrids are characterized by X-ray diffraction (XRD), Infrared spectroscopy (FTIR) and Thermo Gravimetric Analysis (TGA) to confirm successful intercalation of curcumin and Methotrexate within clay layers. Pharmaceutical investigation of the hybrids is explored by studying the drug loading (%), encapsulation efficiency and release kinetics. Finally in-vitro studies are performed using cancer cells to find the effect of released curcumin to improve the sensitivity of clay bound methotrexate to ameliorate cell death compared to their effectiveness when used without the inorganic aluminosilicate vehicle.

Keywords: montmorillonite, methotrexate, curcumin, loading efficiency, release kinetics, anticancer activity

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Authors: Vikas Chawla, Buta Singh Sidhu, Amita Rani, Amit Handa

Abstract:

The main objective of the present work is microstructural and mechanical characterization of the conventional and nanostructured TiAlN and AlCrN coatings deposited on T-11 boiler steel. In case of conventional coatings, Al-Cr and Ti-Al metallic powders were deposited using plasma spray process followed by gas nitriding of the surface which was done in the lab with optimized parameters after conducting several trials on plasma-sprayed coated specimens. The physical vapor deposition process (PAPVD) was employed for depositing nanostructured TiAlN and AlCrN coatings. The field emission scanning electron microscopy (FE-SEM) with energy dispersive X-ray analysis (EDAX) attachment, X-ray diffraction (XRD) analysis, atomic force microscopy (AFM) analysis and the X-Ray mapping analysis techniques have been used to study surface and cross-sectional morphology of the coatings. The surface roughness and micro-hardness were also measured. A good adhesion of the conventional thick TiAlN and AlCrN coatings was found. The coatings under study are recommended for the applications to super-heater and re-heater tubes of the boilers based upon the outcomes of the research work.

Keywords: nanostructure, physical vapour deposition, oxides, thin films, electron microscopy

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Authors: Bashir Abubakar Abdulkadir, Anita Ramli, Lim Jun Wei, Yoshimitsu Uemura

Abstract:

In this study, the ZnO/MCM-22 catalyst with different ZnO loading were prepared using conventional wet impregnation process and the catalyst activity was tested for biodiesel production from Jatropha oil. The effects of reaction parameters with regards to catalyst activity were investigated. The synthesized catalysts samples were then characterized by X-ray diffraction (XRD) for crystal phase, Brunauer–Emmett–Teller (BET) for surface area, pore volume and pore size, Field Emission Scanning electron microscope attached to energy dispersive x-ray (FESEM/EDX) for morphology and elemental composition and TPD (NH3 and CO2) for basic and acidic properties of the catalyst. The XRD spectra couple with the EDX result shows the presence of ZnO in the catalyst confirming the positive intercalation of the metal oxide into the mesoporous MCM-22. The synthesized catalyst was confirmed to be mesoporous according to BET findings. Also, the catalysts can be considered as a bifunctional catalyst based on TPD outcomes. Transesterification results showed that the synthesized catalyst was highly efficient and effective to be used for biodiesel production from low grade oil such as Jatropha oil and other industrial application where the high fatty acid methyl ester (FAMEs) yield was achieved at moderate reaction conditions. It was also discovered that the catalyst can be used more than five (5) runs with little deactivation confirming the catalyst to be highly active and stable to the heat of reaction.

Keywords: MCM-22, synthesis, transesterification, ZnO

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Authors: Wasi Khan, Suboohi Shervani, Swaleha Naseem, Mohd. Shoeb, J. A. Khan, B. R. Singh, A. H. Naqvi

Abstract:

We have successfully synthesized ZnO/TiO2 nanocomposite using a two-step solochemical synthesis method. The influence of annealing temperature on microstructural, optical, anticandidal, photocatalytic activities and dielectric properties were investigated. X-ray diffraction (XRD) and scanning electron microscopy (SEM) show the formation of nanocomposite and uniform surface morphology of all samples. The UV-Vis spectra indicate decrease in band gap energy with increase in annealing temperature. The anticandidal activity of ZnO/TiO2 nanocomposite was evaluated against MDR C. albicans 077. The in-vitro killing assay revealed that the ZnO/TiO2 nanocomposite efficiently inhibit the growth of the C. albicans 077. The nanocomposite also exhibited the photocatalytic activity for the degradation of methyl orange as a function of time at 465 nm wavelength. The electrical behaviour of composite has been studied over a wide range of frequencies at room temperature using complex impedance spectroscopy. The dielectric constants, dielectric loss and ac conductivity (σac) were studied as the function of frequency, which have been explained by ‘Maxwell Wagner Model’. The data reveals that the dielectric constant and loss (tanδ) exhibit the normal dielectric behavior and decreases with the increase in frequency.

Keywords: ZnO/TiO2 nanocomposites, SEM, photocatalytic activity, dielectric properties

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Authors: Abhijith N. V., Abhijit Pattnayak, Deepak Kumar

Abstract:

Nowadays, a group of alloys, namely high entropy alloys (HEA), because of their excellent properties. However, the fabrication of HEAs requires multistage techniques, especially mill-ing, sieving, compaction, sintering, inert media, etc. These processes are laborious, costly, time-oriented, and unsuitable for commercial application. This study adopted a single-stage process-based HVOF thermal spray to develop HEA coating on SS304L substrates. The wear behavior of the deposited HEA coating was explored under different milling time durations (5h, 10h, and 15h, respectively). The effect of feedstock preparation, microstructure, surface chemistry, and mechanical and metallurgical properties on wear resistance was also investigated. The microstructure and composition of both coating and feedstock were evaluated by scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) analysis. Finally, the phase distribution was correlated by X-ray diffraction (XRD ) analysis. The results showed that 15h milled powder coating indicated better tribological than the base substrate and 5h,10h milled powder coating. A chemically stable Body Centered Cubic (BCC) solid solution phase was generated within the 15h milled powder-coated system, which resulted in superior tribological properties.

Keywords: high entropy alloys coating, wear mechanism, HVOF coating, microstructure

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